SCHEMBL518007

SCHEMBL518007

[O]Cc1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
AGXT P21549 2/20 0.54
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DAO P14920 1/20 0.44
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
ALDH1A1 P00352 1/20 0.42
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
MAOB P27338 1/20 0.42
RIPK1 Q13546 2/20 0.41
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KCNH2 Q12809 1/20 0.38
GSK3B P49841 1/20 0.38
BACE1 P56817 1/20 0.38
MAPK8 P45983 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6142836 0.81 IDO1 (0.50) IDO1AGXTKDM4ESMN1; SMN2DAO
SCHEMBL1076615 0.80 PSEN1 (0.47) IDO1AGXTCES2CES1ALDH1A1
SCHEMBL469184 0.80 IDO1 (0.54) IDO1AGXTKDM4ESMN1; SMN2DAO
SCHEMBL9080769 0.80 IDO1 (0.54) IDO1AGXTKDM4ESMN1; SMN2DAO
SCHEMBL3298107 0.79 IDO1 (0.58) IDO1AGXTKDM4ESMN1; SMN2DAO
SCHEMBL7700904 0.79 IDO1 (0.58) IDO1AGXTKDM4ESMN1; SMN2DAO
SCHEMBL18241935 0.78 DAO (0.47) IDO1AGXTKDM4ESMN1; SMN2DAO
SCHEMBL284327 0.77 IDO1 (0.56) IDO1AGXTKDM4ESMN1; SMN2DAO
SCHEMBL27875053 0.77 IDO1 (0.56) IDO1AGXTKDM4ESMN1; SMN2DAO
SCHEMBL2089246 0.76 ALDH1A1 (0.45) KDM4ESMN1; SMN2ALDH1A1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 410 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112010844-B Preparation method and application of N- (pyrimidine-2-yl) coumarin-7-amine derivative as protein kinase inhibitor 中国药科大学 2023-07-25 CN claimed
CN-115215848-A Protein kinase inhibitor and derivative, preparation method, pharmaceutical composition and application thereof 中国药科大学 2022-10-21 CN claimed
CN-113549018-A Protein kinase inhibitor and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2021-10-26 CN claimed
CN-112010844-A Preparation method and application of N- (pyrimidine-2-yl) coumarin-7-amine derivative as protein kinase inhibitor 中国药科大学 2020-12-01 CN claimed
CN-105143207-B Substituted pyridine and substituted pyrazine compounds as PDE4 inhibitors 达特神经科学(开曼)有限公司 2018-04-24 CN claimed
WO-2011034832-A1 SUBSTITUTED PHENOXYMETHYL DIHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 WO claimed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US claimed
EP-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 EP claimed
US-7122536-B2 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC. (US) 2006-10-17 US claimed
US-7015230-B1 Substituted polycyclic aryl and heteroaryl uracils useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 US claimed
WO-2001068605-A1 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-09-20 WO claimed
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2001-08-30 US claimed
EP-1115695-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(N+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
EP-1115694-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC (TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
WO-2000018723-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-2000018724-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US claimed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 IDO1 4205/4885AGXT 234/4885KDM4E 3976/4885
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP IDO1 2580/4885AGXT 313/4885KDM4E 3144/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.